SCHEMBL4148702

SCHEMBL4148702

C[C@H]1O[C@@H](n2cnc3c(N)nc(OC4CCCC4)nc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.57
ADORA2B P29275 8/20 0.57
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
ADORA3 P0DMS8 2/20 0.41
AMD1 P17707 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4157100 0.89 ADORA2A (0.62) ADORA2AADORA2BADORA3
SCHEMBL4157097 0.89 ADORA2A (0.62) ADORA2AADORA2BADORA3
SCHEMBL14397284 0.88 ADORA2A (0.61) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4236084 0.87 ADORA2A (0.71) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4231078 0.87 ADORA2A (0.56) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL13855572 0.87 ADORA2A (0.61) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL3876664 0.87 ADORA2A (0.71) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL3889149 0.87 ADORA2A (0.61) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4145413 0.87 ADORA2A (0.61) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4231106 0.87 ADORA2A (0.56) ADORA2AADORA2BPI4KAPI4K2BPI4K2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 ADORA2A 33/4885ADORA2B 46/4885PI4KA 3581/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.